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Abstract:

Efficient modulation of the bandgap of In
2
O
3
will open up a route to improved electronic properties.
We demonstrate using
ab initio
calculations that Tl incorporation into In
2
O
3
reduces the band gap
and confirm that narrowing of the gap is observed by X-ray photoemission spectroscopy on ceramic
surfaces. Incorporation of Tl does not break the symmetry of the allowed optical transitions, meaning
that the doped thin films should retain optical transparency in the visible region, in combination with
a lowering of the conduction band effective mass. We propose that Tl-doping may be an efficient
way to increase the dopability and carrier mobility of In
2
O
3